Geometry & MOs

Info

ID:	187947
PubChem CID:	77646268
Reduced:	N2O2C29H40 (1)
Stoich.:	A2B2C29D40 (1)
Weight, g/mol:	448.308979
ΔH_f, kcal/mol:	116.98
Dipole, Da:	6.31
IP(EA), eV:	-5.46(-1.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6,9a,11a-trimethyl-7-oxo-N-(3-phenylpropyl)-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinoline-1-carboxamide

Drug info:

PubChemData

Smile

CC12CCC3C4C1CCC2C(=O)NOC5C=C(C3(C(N5C)CC4)C)CCCC6=CC=CC=C6

DOS

IR

Vibrations